#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1j87 n PRO 2 N 0.00 1.88 -0.55 5.55 -0.02 -1.26 -4.93 135.00 135.67 1j87 n PRO 2 Ca 0.00 0.66 -0.26 0.00 -2.02 0.00 0.00 63.50 61.87 1j87 n PRO 2 Cb 0.00 -2.19 0.18 0.00 -0.02 0.00 0.00 33.50 31.48 1j87 n PRO 2 CO 0.00 0.00 0.00 0.94 1.98 0.00 0.00 175.50 178.42 1j87 n GLN 3 N 0.55 -2.35 -2.58 -0.52 7.27 -1.26 -4.91 117.38 113.59 1j87 n GLN 3 Ca 0.06 -0.68 -0.40 0.00 0.07 0.00 0.00 57.00 56.05 1j87 n GLN 3 Cb 0.35 -1.66 -0.05 0.00 2.41 0.00 0.00 30.24 31.29 1j87 n GLN 3 CO 0.00 0.00 0.00 -1.59 0.07 0.00 0.00 177.06 175.54 1j87 s LYS 4 N -3.70 4.67 0.90 3.69 -2.85 -1.26 -4.99 119.74 116.20 1j87 s LYS 4 Ca 0.50 1.66 -0.10 0.00 -1.00 0.00 0.00 55.97 57.03 1j87 s LYS 4 Cb -0.10 -3.14 0.14 0.00 -2.06 0.00 0.00 37.83 32.66 1j87 s LYS 4 CO 0.52 0.28 1.14 -2.14 0.10 0.00 0.00 175.35 175.26 1j87 s PRO 5 N -1.48 1.12 -0.01 1.78 0.02 -1.26 -5.00 135.00 130.17 1j87 s PRO 5 Ca 0.45 1.53 0.02 0.00 0.02 0.00 0.00 61.00 63.01 1j87 s PRO 5 Cb -0.29 -1.74 -0.00 0.00 0.02 0.00 0.00 34.50 32.49 1j87 s PRO 5 CO 0.36 -2.56 -0.05 0.21 -0.33 0.00 0.00 177.00 174.63 1j87 s LYS 6 N -4.66 0.49 -0.03 5.54 2.20 -1.26 -4.27 119.74 117.75 1j87 s LYS 6 Ca 0.66 -0.19 -0.17 0.00 -0.36 0.00 0.00 55.97 55.92 1j87 s LYS 6 Cb -0.22 -0.48 -0.05 0.00 -1.51 0.00 0.00 37.83 35.56 1j87 s LYS 6 CO 0.58 0.10 0.46 0.08 -0.36 0.00 0.00 175.35 176.21 1j87 s VAL 7 N -0.02 5.03 0.02 4.02 1.01 -1.26 0.20 120.40 129.41 1j87 s VAL 7 Ca 0.01 0.95 0.05 0.00 0.00 0.00 0.00 61.98 62.99 1j87 s VAL 7 Cb -0.04 -3.79 -0.02 0.00 0.00 0.00 0.00 36.38 32.54 1j87 s VAL 7 CO -0.00 0.48 -0.15 -0.94 0.00 0.00 0.00 175.10 174.49 1j87 s SER 8 N -0.47 1.82 0.08 3.32 1.04 -0.35 -4.94 113.70 114.20 1j87 s SER 8 Ca 0.25 -0.40 0.05 0.00 0.48 0.00 0.00 55.95 56.33 1j87 s SER 8 Cb -0.17 -0.15 -0.04 0.00 0.10 0.00 0.00 66.02 65.76 1j87 s SER 8 CO 0.13 0.11 -0.05 -0.76 0.98 0.00 0.00 173.24 173.65 1j87 s LEU 9 N -0.87 3.27 -0.22 2.42 1.43 -1.26 -0.62 118.68 122.83 1j87 s LEU 9 Ca 0.04 -0.24 -0.04 0.00 -1.03 0.00 0.00 54.13 52.86 1j87 s LEU 9 Cb -0.07 -2.00 0.07 0.00 0.03 0.00 0.00 46.19 44.22 1j87 s LEU 9 CO 0.01 0.20 0.09 0.21 0.23 0.00 0.00 176.35 177.08 1j87 s ASN 10 N -2.10 2.89 1.18 2.29 2.47 -0.29 -3.20 114.94 118.18 1j87 s ASN 10 Ca 0.23 -0.91 -0.13 0.00 0.42 0.00 0.00 52.86 52.47 1j87 s ASN 10 Cb -0.11 -0.39 0.29 0.00 -1.45 0.00 0.00 41.25 39.59 1j87 s ASN 10 CO 0.15 -0.37 1.02 -2.84 -3.72 0.00 0.00 177.10 171.34 1j87 s PRO 11 N 2.03 -1.05 0.30 0.43 0.02 -1.26 -1.25 135.00 134.23 1j87 s PRO 11 Ca 0.04 0.77 0.26 0.00 0.02 0.00 0.00 61.00 62.09 1j87 s PRO 11 Cb -0.16 -1.54 0.91 0.00 0.02 0.00 0.00 34.50 33.73 1j87 s PRO 11 CO -0.17 -3.79 1.76 -1.35 -0.33 0.00 0.00 177.00 173.12 1j87 h PRO 12 N -2.67 0.00 -6.29 5.54 0.11 -1.93 -3.45 132.00 123.32 1j87 h PRO 12 Ca -0.63 0.00 -0.54 0.00 0.11 0.00 0.00 66.00 64.94 1j87 h PRO 12 Cb 1.34 0.00 -0.00 0.00 0.11 0.00 0.00 31.00 32.45 1j87 h PRO 12 CO 0.51 0.00 1.13 -1.58 -0.21 0.00 0.00 178.00 177.85 1j87 s TRP 13 N -3.28 1.79 -2.16 0.65 0.23 -1.26 -4.76 118.94 110.14 1j87 s TRP 13 Ca 0.06 0.02 0.21 0.00 -2.03 0.00 0.00 56.10 54.36 1j87 s TRP 13 Cb 0.10 -4.01 0.54 0.00 0.03 0.00 0.00 33.47 30.13 1j87 s TRP 13 CO 0.51 -4.31 1.46 0.27 0.96 0.00 0.00 176.95 175.84 1j87 n ASN 14 N 7.26 3.26 -3.83 2.95 6.94 -1.26 -4.68 115.26 125.90 1j87 n ASN 14 Ca 0.18 -1.97 -0.29 0.00 -0.02 0.00 0.00 54.58 52.48 1j87 n ASN 14 Cb 0.42 -0.35 -0.16 0.00 -2.36 0.00 0.00 39.78 37.34 1j87 n ASN 14 CO 0.00 0.00 0.00 -0.13 -1.03 0.00 0.00 177.26 176.10 1j87 s ARG 15 N -1.31 1.09 0.10 -3.83 0.52 -1.26 -1.25 118.95 113.01 1j87 s ARG 15 Ca 0.41 -0.64 0.03 0.00 -0.52 0.00 0.00 55.73 55.01 1j87 s ARG 15 Cb 0.22 -2.26 -0.04 0.00 0.52 0.00 0.00 34.95 33.39 1j87 s ARG 15 CO 0.29 -0.60 -0.08 0.96 0.02 0.00 0.00 175.30 175.89 1j87 s ILE 16 N 1.66 0.80 0.89 1.52 -4.36 -0.57 -4.85 121.20 116.29 1j87 s ILE 16 Ca -0.03 -1.74 -0.11 0.00 -0.26 0.00 0.00 60.65 58.51 1j87 s ILE 16 Cb -0.17 -1.45 0.12 0.00 1.25 0.00 0.00 42.46 42.20 1j87 s ILE 16 CO -0.07 -0.70 1.09 -0.36 0.24 0.00 0.00 174.94 175.14 1j87 s PHE 17 N -2.92 2.34 0.32 1.37 2.99 -1.26 0.09 117.98 120.91 1j87 s PHE 17 Ca 0.07 1.28 -0.29 0.00 0.00 0.00 0.00 56.93 58.00 1j87 s PHE 17 Cb 0.00 -3.15 -0.10 0.00 0.00 0.00 0.00 43.02 39.77 1j87 s PHE 17 CO -0.02 -2.34 1.23 0.21 -0.00 0.00 0.00 175.22 174.30 1j87 s LYS 18 N -4.93 4.42 0.00 0.44 2.20 0.60 -3.00 119.74 119.47 1j87 s LYS 18 Ca 0.63 2.06 0.00 0.00 -0.36 0.00 0.00 55.97 58.30 1j87 s LYS 18 Cb -0.18 -3.08 0.00 0.00 -1.51 0.00 0.00 37.83 33.06 1j87 s LYS 18 CO 0.57 -0.07 0.00 0.41 -0.36 0.00 0.00 175.35 175.90 1j87 n GLY 19 N 0.91 1.50 3.93 5.54 0.00 0.07 -4.84 105.19 112.30 1j87 n GLY 19 Ca -0.00 0.00 -0.25 0.00 0.00 0.00 0.00 46.02 45.77 1j87 n GLY 19 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1j87 s GLU 20 N -0.48 3.09 0.11 1.61 2.02 -1.16 -4.03 118.70 119.85 1j87 s GLU 20 Ca 0.00 -0.19 0.07 0.00 0.02 0.00 0.00 54.97 54.86 1j87 s GLU 20 Cb 0.00 -2.42 -0.04 0.00 0.10 0.00 0.00 34.13 31.77 1j87 s GLU 20 CO 0.00 -0.42 -0.08 -0.80 0.02 0.00 0.00 175.26 173.99 1j87 s ASN 21 N -4.23 4.52 -0.09 -0.19 0.01 -1.26 -1.26 114.94 112.44 1j87 s ASN 21 Ca 0.50 -0.36 -0.13 0.00 -0.71 0.00 0.00 52.86 52.16 1j87 s ASN 21 Cb -0.10 -0.90 0.03 0.00 0.41 0.00 0.00 41.25 40.69 1j87 s ASN 21 CO 0.42 0.17 0.34 0.54 -1.51 0.00 0.00 177.10 177.05 1j87 s VAL 22 N -1.29 0.02 -0.11 1.60 0.11 -0.67 -4.69 120.40 115.37 1j87 s VAL 22 Ca 0.23 -0.16 0.00 0.00 -2.93 0.00 0.00 61.98 59.12 1j87 s VAL 22 Cb -0.11 -0.53 -0.02 0.00 -1.53 0.00 0.00 36.38 34.19 1j87 s VAL 22 CO 0.15 -0.09 -0.12 -0.89 -3.33 0.00 0.00 175.10 170.82 1j87 s THR 23 N -0.32 3.18 -0.17 5.04 2.01 -0.38 -1.32 115.64 123.68 1j87 s THR 23 Ca -0.05 -0.63 -0.06 0.00 0.31 0.00 0.00 61.69 61.26 1j87 s THR 23 Cb -0.03 -2.32 -0.04 0.00 0.01 0.00 0.00 72.50 70.12 1j87 s THR 23 CO 0.02 0.54 0.02 -0.76 -0.69 0.00 0.00 174.62 173.75 1j87 s LEU 24 N 0.02 3.61 -0.05 4.42 1.43 0.43 -1.14 118.68 127.40 1j87 s LEU 24 Ca -0.04 0.02 0.04 0.00 -1.03 0.00 0.00 54.13 53.12 1j87 s LEU 24 Cb -0.14 -1.89 0.00 0.00 0.03 0.00 0.00 46.19 44.19 1j87 s LEU 24 CO 0.04 0.19 -0.16 -0.89 0.23 0.00 0.00 176.35 175.76 1j87 s THR 25 N 0.26 1.33 -0.03 5.49 2.01 0.21 -0.41 115.64 124.50 1j87 s THR 25 Ca 0.01 -0.64 -0.26 0.00 0.31 0.00 0.00 61.69 61.11 1j87 s THR 25 Cb -0.13 -1.16 -0.04 0.00 0.01 0.00 0.00 72.50 71.19 1j87 s THR 25 CO 0.01 0.39 0.80 0.00 -0.69 0.00 0.00 174.62 175.13 1j87 n ASN 27 N 3.66 -2.69 -4.70 0.00 2.85 0.54 -4.89 115.26 110.03 1j87 n ASN 27 Ca 0.01 -0.11 -0.42 0.00 -0.11 0.00 0.00 54.58 53.94 1j87 n ASN 27 Cb 0.51 -0.69 -0.03 0.00 1.24 0.00 0.00 39.78 40.81 1j87 n ASN 27 CO 0.00 0.00 0.00 -0.83 -2.11 0.00 0.00 177.26 174.32 1j87 s GLY 28 N -1.45 2.42 -0.00 8.20 0.00 -1.26 -4.75 107.32 110.47 1j87 s GLY 28 Ca 0.39 0.65 0.00 0.00 0.00 0.00 0.00 44.72 45.76 1j87 s GLY 28 CO 0.53 2.00 -0.00 1.16 0.00 0.00 0.00 173.10 176.79 1j87 n ASN 29 N 4.45 4.63 -4.04 1.64 6.94 -1.26 -4.89 115.26 122.73 1j87 n ASN 29 Ca 0.09 -0.00 -0.10 0.00 -0.02 0.00 0.00 54.58 54.55 1j87 n ASN 29 Cb 0.48 0.36 -0.06 0.00 -2.36 0.00 0.00 39.78 38.20 1j87 n ASN 29 CO 0.00 0.00 0.00 0.21 -1.03 0.00 0.00 177.26 176.44 1j87 s ASN 30 N -3.33 -0.04 0.00 0.53 3.84 -1.26 -4.88 114.94 109.80 1j87 s ASN 30 Ca -0.00 -1.03 -0.25 0.00 0.21 0.00 0.00 52.86 51.79 1j87 s ASN 30 Cb 0.00 0.54 -0.16 0.00 -0.55 0.00 0.00 41.25 41.08 1j87 s ASN 30 CO 0.02 -1.08 1.18 -0.26 -2.79 0.00 0.00 177.10 174.17 1j87 h PHE 31 N 2.33 -0.41 0.00 0.43 -1.00 -2.03 -3.55 116.94 112.72 1j87 h PHE 31 Ca -0.28 -0.01 0.00 0.00 2.81 0.00 0.00 57.97 60.49 1j87 h PHE 31 Cb 1.25 0.14 0.00 0.00 3.61 0.00 0.00 35.95 40.95 1j87 h PHE 31 CO 0.39 -0.08 0.00 0.34 -1.61 0.00 0.00 178.31 177.35 1j87 n PHE 32 N -5.14 0.00 -1.29 -0.55 7.35 -1.26 -5.19 117.46 111.38 1j87 n PHE 32 Ca -0.09 0.00 -0.59 0.00 -0.76 0.00 0.00 57.45 56.01 1j87 n PHE 32 Cb 0.27 0.00 -0.11 0.00 0.35 0.00 0.00 39.48 39.99 1j87 n PHE 32 CO 0.00 0.00 0.00 -1.13 -0.76 0.00 0.00 176.76 174.87 1j87 n SER 36 N 0.00 0.80 -4.92 -2.13 3.41 -1.26 -5.20 113.62 104.32 1j87 n SER 36 Ca 0.00 0.75 -0.29 0.00 -0.26 0.00 0.00 58.87 59.07 1j87 n SER 36 Cb 0.00 -0.85 -0.04 0.00 -0.26 0.00 0.00 64.21 63.06 1j87 n SER 36 CO 0.00 0.00 0.00 -0.89 -0.16 0.00 0.00 175.04 173.99 1j87 s THR 37 N 5.11 5.25 -0.19 6.66 2.01 -0.95 -4.34 115.64 129.19 1j87 s THR 37 Ca 1.11 -0.31 -0.05 0.00 0.31 0.00 0.00 61.69 62.75 1j87 s THR 37 Cb -1.42 -3.69 0.07 0.00 0.01 0.00 0.00 72.50 67.47 1j87 s THR 37 CO 0.66 -0.05 0.12 -0.54 -0.69 0.00 0.00 174.62 174.12 1j87 s LYS 38 N -2.98 0.10 -0.07 4.92 1.02 -1.10 -4.55 119.74 117.07 1j87 s LYS 38 Ca 0.38 -0.06 -0.12 0.00 0.02 0.00 0.00 55.97 56.20 1j87 s LYS 38 Cb -0.12 -1.65 -0.05 0.00 -0.52 0.00 0.00 37.83 35.50 1j87 s LYS 38 CO 0.28 -0.70 0.29 -1.58 -0.92 0.00 0.00 175.35 172.72 1j87 s TRP 39 N 2.18 3.63 -0.23 3.18 0.52 -1.25 -1.71 118.94 125.26 1j87 s TRP 39 Ca 0.04 0.75 0.02 0.00 0.02 0.00 0.00 56.10 56.92 1j87 s TRP 39 Cb -0.16 -2.18 0.05 0.00 -1.15 0.00 0.00 33.47 30.04 1j87 s TRP 39 CO -0.12 0.60 -0.11 -0.06 0.02 0.00 0.00 176.95 177.28 1j87 s PHE 40 N -0.76 2.84 -0.40 -1.98 0.40 0.78 0.39 117.98 119.26 1j87 s PHE 40 Ca 0.19 -1.97 -0.16 0.00 -0.60 0.00 0.00 56.93 54.40 1j87 s PHE 40 Cb -0.14 -1.79 0.01 0.00 0.51 0.00 0.00 43.02 41.61 1j87 s PHE 40 CO 0.08 -0.82 0.35 -1.58 0.70 0.00 0.00 175.22 173.95 1j87 s HIS 41 N 1.25 3.21 -1.47 0.36 2.46 -1.07 -1.30 115.29 118.73 1j87 s HIS 41 Ca -0.05 -0.43 0.00 0.00 0.47 0.00 0.00 55.06 55.05 1j87 s HIS 41 Cb -0.18 -2.69 0.00 0.00 -0.13 0.00 0.00 32.58 29.57 1j87 s HIS 41 CO -0.07 -0.60 0.00 0.09 -2.47 0.00 0.00 174.74 171.70 1j87 n ASN 42 N 5.33 -4.97 0.00 9.88 4.13 0.07 -1.71 115.26 127.99 1j87 n ASN 42 Ca -0.10 0.34 0.00 0.00 1.68 0.00 0.00 54.58 56.51 1j87 n ASN 42 Cb 0.48 -3.69 0.00 0.00 -1.54 0.00 0.00 39.78 35.03 1j87 n ASN 42 CO 0.00 0.00 0.00 0.61 0.28 0.00 0.00 177.26 178.15 1j87 n GLY 43 N -0.87 0.77 3.32 7.41 0.00 -1.26 -4.98 105.19 109.57 1j87 n GLY 43 Ca -0.14 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.53 1j87 n GLY 43 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 1j87 s SER 44 N -2.40 4.62 -0.04 1.61 0.15 -0.69 -5.02 113.70 111.93 1j87 s SER 44 Ca 0.00 -0.52 -0.40 0.00 0.70 0.00 0.00 55.95 55.73 1j87 s SER 44 Cb 0.00 -1.79 -0.19 0.00 -1.71 0.00 0.00 66.02 62.34 1j87 s SER 44 CO 0.00 -0.08 1.23 -0.11 1.20 0.00 0.00 173.24 175.48 1j87 n LEU 45 N 4.81 0.71 -4.87 3.45 7.94 -1.26 -2.61 117.00 125.18 1j87 n LEU 45 Ca -0.17 1.15 -0.31 0.00 -1.11 0.00 0.00 56.01 55.57 1j87 n LEU 45 Cb 0.50 -1.01 -0.04 0.00 0.53 0.00 0.00 43.42 43.40 1j87 n LEU 45 CO 0.29 -1.48 0.40 -0.55 -1.11 0.00 0.00 177.39 174.94 1j87 s SER 46 N 0.60 6.60 0.00 1.96 0.15 0.16 -4.88 113.70 118.30 1j87 s SER 46 Ca 0.91 1.13 0.16 0.00 0.70 0.00 0.00 55.95 58.85 1j87 s SER 46 Cb -1.19 -2.32 0.96 0.00 -1.71 0.00 0.00 66.02 61.76 1j87 s SER 46 CO 0.57 -0.30 1.53 1.21 1.20 0.00 0.00 173.24 177.45 1j87 n GLU 47 N -0.89 0.88 -3.31 5.44 2.13 -1.26 -4.68 120.64 118.95 1j87 n GLU 47 Ca 0.02 0.00 -0.38 0.00 0.66 0.00 0.00 57.16 57.46 1j87 n GLU 47 Cb 0.54 -1.29 -0.06 0.00 0.27 0.00 0.00 31.44 30.89 1j87 n GLU 47 CO 0.00 0.00 0.00 -1.21 -0.41 0.00 0.00 177.13 175.51 1j87 s GLU 48 N -2.00 4.27 0.00 5.31 0.41 -1.26 -4.95 118.70 120.49 1j87 s GLU 48 Ca 0.24 0.39 0.01 0.00 -0.41 0.00 0.00 54.97 55.21 1j87 s GLU 48 Cb 0.11 -3.48 -0.01 0.00 -1.78 0.00 0.00 34.13 28.97 1j87 s GLU 48 CO 0.19 0.05 0.15 0.25 -0.49 0.00 0.00 175.26 175.41 1j87 n THR 49 N 4.00 0.00 -1.67 3.63 -2.24 -1.26 -3.84 114.28 112.90 1j87 n THR 49 Ca -0.07 -0.48 -0.31 0.00 -2.27 0.00 0.00 64.05 60.93 1j87 n THR 49 Cb 0.51 1.01 0.04 0.00 -2.10 0.00 0.00 70.33 69.79 1j87 n THR 49 CO 0.00 0.00 0.00 0.20 -0.57 0.00 0.00 175.07 174.70 1j87 s ASN 50 N -0.93 5.64 0.62 3.42 0.01 -1.26 -2.24 114.94 120.20 1j87 s ASN 50 Ca 0.01 1.54 0.34 0.00 -0.71 0.00 0.00 52.86 54.04 1j87 s ASN 50 Cb 0.01 -2.47 1.95 0.00 0.41 0.00 0.00 41.25 41.16 1j87 s ASN 50 CO 0.05 -1.26 2.22 0.77 -1.51 0.00 0.00 177.10 177.37 1j87 h SER 51 N -0.59 0.00 -3.46 -1.22 4.64 -1.96 -3.41 113.55 107.55 1j87 h SER 51 Ca -0.44 0.00 -0.63 0.00 -0.47 0.00 0.00 61.79 60.25 1j87 h SER 51 Cb 1.21 0.00 -0.33 0.00 -0.31 0.00 0.00 62.40 62.97 1j87 h SER 51 CO 0.59 0.00 -0.86 -0.44 -0.87 0.00 0.00 176.83 175.24 1j87 s SER 52 N -5.61 2.71 -0.34 4.97 0.01 -1.26 -2.63 113.70 111.55 1j87 s SER 52 Ca -0.05 -0.48 -0.12 0.00 1.31 0.00 0.00 55.95 56.61 1j87 s SER 52 Cb 0.14 -1.17 -0.01 0.00 0.21 0.00 0.00 66.02 65.20 1j87 s SER 52 CO 0.48 0.14 0.22 -0.22 0.41 0.00 0.00 173.24 174.27 1j87 s LEU 53 N 0.35 4.51 -0.23 2.44 2.96 0.46 -4.93 118.68 124.23 1j87 s LEU 53 Ca -0.16 -0.56 -0.13 0.00 -0.22 0.00 0.00 54.13 53.07 1j87 s LEU 53 Cb -0.17 -2.10 -0.04 0.00 0.50 0.00 0.00 46.19 44.38 1j87 s LEU 53 CO 0.07 -0.27 0.27 0.20 -1.32 0.00 0.00 176.35 175.30 1j87 s ASN 54 N 1.67 6.23 -0.43 3.68 0.01 -1.26 -0.43 114.94 124.42 1j87 s ASN 54 Ca 0.05 0.26 -0.08 0.00 -0.71 0.00 0.00 52.86 52.38 1j87 s ASN 54 Cb -0.18 -2.16 0.09 0.00 0.41 0.00 0.00 41.25 39.41 1j87 s ASN 54 CO 0.09 -0.02 0.26 -0.63 -1.51 0.00 0.00 177.10 175.29 1j87 s ILE 55 N 1.33 4.04 -0.05 0.60 1.01 -0.44 -5.02 121.20 122.68 1j87 s ILE 55 Ca 0.12 -1.60 -0.07 0.00 0.00 0.00 0.00 60.65 59.10 1j87 s ILE 55 Cb -0.14 -3.56 -0.04 0.00 0.01 0.00 0.00 42.46 38.72 1j87 s ILE 55 CO 0.07 -0.59 0.22 -0.69 0.00 0.00 0.00 174.94 173.95 1j87 s VAL 56 N 1.36 5.37 -0.50 2.92 1.01 -1.26 -1.66 120.40 127.63 1j87 s VAL 56 Ca 0.04 0.23 -0.31 0.00 0.00 0.00 0.00 61.98 61.94 1j87 s VAL 56 Cb -0.24 -3.51 0.05 0.00 0.00 0.00 0.00 36.38 32.68 1j87 s VAL 56 CO 0.00 0.50 0.65 -3.20 0.00 0.00 0.00 175.10 173.05 1j87 n ASN 57 N 1.56 -5.71 -4.67 3.32 4.05 -1.23 -4.76 115.26 107.81 1j87 n ASN 57 Ca -0.15 -0.19 -0.43 0.00 0.45 0.00 0.00 54.58 54.26 1j87 n ASN 57 Cb 0.54 -2.11 -0.00 0.00 1.23 0.00 0.00 39.78 39.43 1j87 n ASN 57 CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 177.26 174.21 1j87 n ALA 58 N -0.53 0.88 -2.97 5.20 0.00 -0.39 -4.55 120.51 118.15 1j87 n ALA 58 Ca -0.09 0.34 -0.24 0.00 0.00 0.00 0.00 53.44 53.45 1j87 n ALA 58 Cb 0.66 -2.19 -0.16 0.00 0.00 0.00 0.00 19.45 17.76 1j87 n ALA 58 CO 0.00 0.00 0.00 0.15 0.00 0.00 0.00 177.50 177.65 1j87 s LYS 59 N -1.87 1.42 0.37 0.00 1.02 -1.26 -0.75 119.74 118.67 1j87 s LYS 59 Ca 0.58 -0.47 0.30 0.00 0.02 0.00 0.00 55.97 56.39 1j87 s LYS 59 Cb -0.59 -1.26 1.22 0.00 -0.52 0.00 0.00 37.83 36.68 1j87 s LYS 59 CO 0.61 0.18 1.21 1.19 -0.92 0.00 0.00 175.35 177.62 1j87 n PHE 60 N 3.22 0.37 0.32 3.18 0.99 -1.26 0.34 117.46 124.62 1j87 n PHE 60 Ca -0.18 0.37 0.19 0.00 -0.00 0.00 0.00 57.45 57.83 1j87 n PHE 60 Cb 0.53 -0.77 1.06 0.00 -1.00 0.00 0.00 39.48 39.30 1j87 n PHE 60 CO 0.00 0.00 0.00 0.93 -0.00 0.00 0.00 176.76 177.69 1j87 h GLU 61 N 0.00 0.00 -0.00 -1.08 3.07 -1.98 0.80 114.58 115.39 1j87 h GLU 61 Ca 0.70 0.00 0.00 0.00 -0.50 0.00 0.00 59.36 59.56 1j87 h GLU 61 Cb 2.45 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 30.36 1j87 h GLU 61 CO -0.25 0.01 -0.02 -0.25 -1.40 0.00 0.00 179.01 177.10 1j87 n ASP 62 N -3.41 0.03 -4.62 1.42 8.00 1.05 -4.82 116.55 114.20 1j87 n ASP 62 Ca -0.03 0.15 -0.29 0.00 0.71 0.00 0.00 54.79 55.34 1j87 n ASP 62 Cb 0.09 -0.37 0.20 0.00 -0.02 0.00 0.00 41.12 41.02 1j87 n ASP 62 CO 0.00 0.00 0.00 -0.44 -0.39 0.00 0.00 177.20 176.37 1j87 s SER 63 N -2.79 2.17 0.00 -2.24 0.01 0.27 -4.85 113.70 106.27 1j87 s SER 63 Ca 0.21 1.38 0.00 0.00 1.31 0.00 0.00 55.95 58.85 1j87 s SER 63 Cb 0.20 -2.08 0.00 0.00 0.21 0.00 0.00 66.02 64.35 1j87 s SER 63 CO 0.50 -3.44 0.00 0.61 0.41 0.00 0.00 173.24 171.32 1j87 n GLY 64 N -0.40 0.22 3.89 3.44 0.00 -0.69 -4.93 105.19 106.72 1j87 n GLY 64 Ca 0.05 -2.30 -0.29 0.00 0.00 0.00 0.00 46.02 43.48 1j87 n GLY 64 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 1j87 s GLU 65 N -0.74 3.60 -0.06 1.61 2.12 -1.26 -0.95 118.70 123.02 1j87 s GLU 65 Ca 0.00 0.45 -0.12 0.00 0.36 0.00 0.00 54.97 55.65 1j87 s GLU 65 Cb 0.00 -2.26 0.03 0.00 0.26 0.00 0.00 34.13 32.15 1j87 s GLU 65 CO 0.00 -0.32 0.30 0.71 -0.54 0.00 0.00 175.26 175.41 1j87 s TYR 66 N -2.86 -0.24 0.03 5.30 1.51 -0.61 -0.75 117.35 119.73 1j87 s TYR 66 Ca 0.51 0.51 -0.03 0.00 -1.01 0.00 0.00 57.07 57.06 1j87 s TYR 66 Cb -0.11 0.10 -0.02 0.00 -0.11 0.00 0.00 41.96 41.82 1j87 s TYR 66 CO 0.46 -0.28 0.02 0.15 -1.11 0.00 0.00 175.55 174.80 1j87 s LYS 67 N -0.62 0.48 0.00 -0.62 1.02 -0.42 -1.88 119.74 117.71 1j87 s LYS 67 Ca -0.07 -0.77 0.01 0.00 0.02 0.00 0.00 55.97 55.16 1j87 s LYS 67 Cb -0.04 0.18 -0.01 0.00 -0.52 0.00 0.00 37.83 37.44 1j87 s LYS 67 CO 0.02 -0.10 -0.04 0.00 -0.92 0.00 0.00 175.35 174.31 1j87 s GLN 69 N -0.36 0.31 0.29 0.00 0.74 -0.69 -1.95 119.66 117.99 1j87 s GLN 69 Ca -0.01 0.24 -0.06 0.00 0.05 0.00 0.00 55.36 55.58 1j87 s GLN 69 Cb -0.03 0.15 -0.06 0.00 1.10 0.00 0.00 33.01 34.17 1j87 s GLN 69 CO -0.00 -0.05 0.57 -1.01 -0.55 0.00 0.00 175.29 174.25 1j87 s HIS 70 N -0.07 3.47 0.04 1.67 3.76 -1.26 -2.73 115.29 120.18 1j87 s HIS 70 Ca -0.02 0.70 -0.36 0.00 -0.15 0.00 0.00 55.06 55.23 1j87 s HIS 70 Cb -0.02 -2.15 -0.15 0.00 1.11 0.00 0.00 32.58 31.36 1j87 s HIS 70 CO 0.01 0.16 1.51 0.00 -0.85 0.00 0.00 174.74 175.57 1j87 n GLN 71 N -0.85 1.53 -1.91 1.40 10.64 -1.26 -2.01 117.38 124.92 1j87 n GLN 71 Ca -0.01 0.55 -0.08 0.00 -1.83 0.00 0.00 57.00 55.63 1j87 n GLN 71 Cb 0.54 -2.26 -0.02 0.00 -0.86 0.00 0.00 30.24 27.64 1j87 n GLN 71 CO 0.00 0.00 0.00 1.04 -1.83 0.00 0.00 177.06 176.27 1j87 n GLN 72 N 3.53 -1.88 -4.40 2.61 3.00 -1.26 -4.92 117.38 114.06 1j87 n GLN 72 Ca 0.19 0.45 -0.33 0.00 -0.01 0.00 0.00 57.00 57.30 1j87 n GLN 72 Cb 0.22 -4.83 -0.16 0.00 0.00 0.00 0.00 30.24 25.47 1j87 n GLN 72 CO 0.00 0.00 0.00 0.08 0.00 0.00 0.00 177.06 177.14 1j87 s VAL 73 N -2.10 2.50 0.40 5.09 1.01 -0.85 -5.08 120.40 121.37 1j87 s VAL 73 Ca 0.00 -0.82 -0.25 0.00 0.00 0.00 0.00 61.98 60.91 1j87 s VAL 73 Cb 0.00 -2.05 -0.11 0.00 0.00 0.00 0.00 36.38 34.22 1j87 s VAL 73 CO 0.00 0.52 1.07 0.59 0.00 0.00 0.00 175.10 177.28 1j87 n ASN 74 N 4.26 1.59 -4.25 3.32 3.02 -1.26 -4.11 115.26 117.83 1j87 n ASN 74 Ca -0.20 1.08 -0.34 0.00 -0.03 0.00 0.00 54.58 55.09 1j87 n ASN 74 Cb 0.51 -1.38 0.10 0.00 -0.61 0.00 0.00 39.78 38.40 1j87 n ASN 74 CO 0.00 0.00 0.00 -0.62 -2.62 0.00 0.00 177.26 174.02 1j87 n GLU 75 N 0.24 -0.37 -1.81 3.52 1.02 -1.26 -4.42 120.64 117.56 1j87 n GLU 75 Ca 0.09 -0.08 -0.30 0.00 -0.02 0.00 0.00 57.16 56.84 1j87 n GLU 75 Cb 0.38 -1.53 0.19 0.00 -0.02 0.00 0.00 31.44 30.46 1j87 n GLU 75 CO 0.00 0.00 0.00 -1.54 1.18 0.00 0.00 177.13 176.77 1j87 s SER 76 N -1.63 2.88 0.17 1.62 1.04 -0.82 -4.74 113.70 112.22 1j87 s SER 76 Ca 0.50 0.34 -0.23 0.00 0.48 0.00 0.00 55.95 57.04 1j87 s SER 76 Cb -0.17 -0.44 -0.08 0.00 0.10 0.00 0.00 66.02 65.44 1j87 s SER 76 CO 0.72 -2.89 0.74 -1.61 0.98 0.00 0.00 173.24 171.18 1j87 s GLU 77 N -5.81 4.46 0.47 4.02 0.41 -1.26 -4.81 118.70 116.18 1j87 s GLU 77 Ca 0.73 1.05 -0.24 0.00 -0.41 0.00 0.00 54.97 56.10 1j87 s GLU 77 Cb -0.05 -3.18 -0.08 0.00 -1.78 0.00 0.00 34.13 29.04 1j87 s GLU 77 CO 0.53 0.54 1.39 -2.30 -0.49 0.00 0.00 175.26 174.94 1j87 n PRO 78 N 1.43 2.07 -4.31 0.39 -0.02 -1.26 -4.75 135.00 128.56 1j87 n PRO 78 Ca -0.06 0.74 -0.29 0.00 -2.02 0.00 0.00 63.50 61.88 1j87 n PRO 78 Cb 0.49 -2.58 -0.17 0.00 -0.02 0.00 0.00 33.50 31.23 1j87 n PRO 78 CO 0.00 0.00 0.00 0.08 1.98 0.00 0.00 175.50 177.56 1j87 s VAL 79 N -1.22 1.50 -0.33 -1.45 1.01 -0.79 -4.91 120.40 114.21 1j87 s VAL 79 Ca 0.64 -0.62 -0.13 0.00 0.00 0.00 0.00 61.98 61.87 1j87 s VAL 79 Cb -0.45 -1.39 -0.02 0.00 0.00 0.00 0.00 36.38 34.52 1j87 s VAL 79 CO 0.56 0.44 0.23 -0.31 0.00 0.00 0.00 175.10 176.02 1j87 s TYR 80 N 1.16 3.23 0.24 5.22 1.51 -1.26 -1.57 117.35 125.87 1j87 s TYR 80 Ca -0.03 -0.16 -0.02 0.00 -1.01 0.00 0.00 57.07 55.85 1j87 s TYR 80 Cb -0.14 -2.46 -0.05 0.00 -0.11 0.00 0.00 41.96 39.20 1j87 s TYR 80 CO -0.05 -0.33 0.45 -1.17 -1.11 0.00 0.00 175.55 173.34 1j87 s LEU 81 N 1.73 4.16 -0.23 -1.29 2.96 -0.13 -4.80 118.68 121.08 1j87 s LEU 81 Ca 0.06 0.51 -0.05 0.00 -0.22 0.00 0.00 54.13 54.43 1j87 s LEU 81 Cb -0.17 -3.29 0.12 0.00 0.50 0.00 0.00 46.19 43.35 1j87 s LEU 81 CO 0.11 -0.10 0.43 -0.70 -1.32 0.00 0.00 176.35 174.77 1j87 s GLU 82 N -3.43 0.37 -0.02 1.98 2.12 -0.38 -1.71 118.70 117.63 1j87 s GLU 82 Ca 0.40 0.85 -0.24 0.00 0.36 0.00 0.00 54.97 56.35 1j87 s GLU 82 Cb -0.11 0.05 -0.04 0.00 0.26 0.00 0.00 34.13 34.29 1j87 s GLU 82 CO 0.29 -0.45 0.71 0.08 -0.54 0.00 0.00 175.26 175.36 1j87 s VAL 83 N 2.63 4.93 0.44 3.70 1.01 -1.25 -1.51 120.40 130.34 1j87 s VAL 83 Ca 0.06 1.49 0.06 0.00 0.00 0.00 0.00 61.98 63.60 1j87 s VAL 83 Cb -0.14 -4.06 -0.05 0.00 0.00 0.00 0.00 36.38 32.14 1j87 s VAL 83 CO -0.15 0.30 0.13 -0.36 0.00 0.00 0.00 175.10 175.02 1j87 s PHE 84 N 0.42 2.41 -0.26 5.22 0.40 0.11 -4.85 117.98 121.44 1j87 s PHE 84 Ca 0.37 -0.68 -0.02 0.00 -0.60 0.00 0.00 56.93 56.01 1j87 s PHE 84 Cb -0.19 -1.86 0.13 0.00 0.51 0.00 0.00 43.02 41.61 1j87 s PHE 84 CO 0.20 0.21 0.30 0.45 0.70 0.00 0.00 175.22 177.08 1j87 s SER 85 N -3.88 1.20 -0.04 1.36 0.15 -1.26 -0.29 113.70 110.94 1j87 s SER 85 Ca 0.34 -0.38 -0.31 0.00 0.70 0.00 0.00 55.95 56.30 1j87 s SER 85 Cb 0.05 0.65 0.11 0.00 -1.71 0.00 0.00 66.02 65.12 1j87 s SER 85 CO 0.19 -0.35 1.16 -0.62 1.20 0.00 0.00 173.24 174.81 1j87 s ASP 86 N 2.41 -0.14 0.05 5.45 -1.08 -1.26 -5.05 116.67 117.05 1j87 s ASP 86 Ca 0.09 -0.12 -0.21 0.00 -0.52 0.00 0.00 52.55 51.80 1j87 s ASP 86 Cb -0.15 0.24 -0.13 0.00 -1.46 0.00 0.00 42.92 41.43 1j87 s ASP 86 CO -0.24 -0.42 1.44 -0.50 0.52 0.00 0.00 175.17 175.97 1j87 h TRP 87 N 2.00 0.35 -4.08 -5.34 6.55 -1.95 -3.40 115.95 110.08 1j87 h TRP 87 Ca -0.22 -0.08 -0.69 0.00 0.95 0.00 0.00 58.89 58.86 1j87 h TRP 87 Cb 1.20 -0.08 -0.23 0.00 -0.86 0.00 0.00 29.16 29.18 1j87 h TRP 87 CO 0.31 0.59 -0.83 -0.51 -1.05 0.00 0.00 178.44 176.94 1j87 s LEU 88 N -9.37 2.45 -0.06 -4.49 1.43 -1.26 -1.42 118.68 105.96 1j87 s LEU 88 Ca -0.14 -0.49 -0.03 0.00 -1.03 0.00 0.00 54.13 52.44 1j87 s LEU 88 Cb 0.06 -1.43 0.04 0.00 0.03 0.00 0.00 46.19 44.89 1j87 s LEU 88 CO 0.73 0.25 0.13 -0.22 0.23 0.00 0.00 176.35 177.48 1j87 s LEU 89 N -1.40 0.64 -0.40 1.79 2.96 -0.77 -4.62 118.68 116.89 1j87 s LEU 89 Ca 0.14 0.27 -0.21 0.00 -0.22 0.00 0.00 54.13 54.10 1j87 s LEU 89 Cb -0.10 0.29 0.01 0.00 0.50 0.00 0.00 46.19 46.89 1j87 s LEU 89 CO 0.04 -0.16 0.69 -0.22 -1.32 0.00 0.00 176.35 175.38 1j87 s LEU 90 N 1.33 4.31 0.06 -0.68 2.96 -1.26 -0.83 118.68 124.57 1j87 s LEU 90 Ca -0.07 -0.02 -0.02 0.00 -0.22 0.00 0.00 54.13 53.80 1j87 s LEU 90 Cb -0.12 -2.84 -0.04 0.00 0.50 0.00 0.00 46.19 43.69 1j87 s LEU 90 CO -0.06 -0.73 0.25 -1.10 -1.32 0.00 0.00 176.35 173.40 1j87 s GLN 91 N 2.91 3.50 0.01 1.98 -0.21 0.18 -4.93 119.66 123.10 1j87 s GLN 91 Ca 0.26 -0.30 0.02 0.00 0.02 0.00 0.00 55.36 55.36 1j87 s GLN 91 Cb -0.14 -3.01 -0.01 0.00 1.00 0.00 0.00 33.01 30.86 1j87 s GLN 91 CO 0.18 0.59 -0.06 0.00 -2.12 0.00 0.00 175.29 173.87 1j87 s ALA 92 N -1.50 0.50 0.16 6.09 0.00 -1.26 -1.55 121.76 124.20 1j87 s ALA 92 Ca 0.35 -0.37 -0.23 0.00 0.00 0.00 0.00 51.96 51.71 1j87 s ALA 92 Cb -0.13 -0.08 0.04 0.00 0.00 0.00 0.00 23.12 22.95 1j87 s ALA 92 CO 0.25 0.09 1.62 0.66 0.00 0.00 0.00 175.76 178.37 1j87 h SER 93 N 5.64 -0.91 -5.04 0.00 4.64 -1.65 -3.39 113.55 112.85 1j87 h SER 93 Ca -0.30 0.16 -0.07 0.00 -0.47 0.00 0.00 61.79 61.11 1j87 h SER 93 Cb 1.19 0.43 -0.16 0.00 -0.31 0.00 0.00 62.40 63.55 1j87 h SER 93 CO 0.48 -0.30 -0.08 0.00 -0.87 0.00 0.00 176.83 176.05 1j87 s ALA 94 N -6.05 -1.04 -0.24 5.18 0.00 -1.26 -4.75 121.76 113.60 1j87 s ALA 94 Ca -0.15 0.31 0.22 0.00 0.00 0.00 0.00 51.96 52.35 1j87 s ALA 94 Cb 0.13 0.39 -0.05 0.00 0.00 0.00 0.00 23.12 23.58 1j87 s ALA 94 CO 0.68 -0.48 0.95 0.39 0.00 0.00 0.00 175.76 177.29 1j87 n GLU 95 N 0.42 0.58 -3.94 0.00 1.02 -1.26 -4.68 120.64 112.77 1j87 n GLU 95 Ca -0.18 0.05 -0.30 0.00 -0.02 0.00 0.00 57.16 56.71 1j87 n GLU 95 Cb 0.60 -1.75 -0.16 0.00 -0.02 0.00 0.00 31.44 30.12 1j87 n GLU 95 CO 0.00 0.00 0.00 0.08 1.18 0.00 0.00 177.13 178.39 1j87 s VAL 96 N -3.38 1.53 -0.10 2.62 1.01 -1.26 -1.94 120.40 118.89 1j87 s VAL 96 Ca -0.01 -1.21 0.02 0.00 0.00 0.00 0.00 61.98 60.77 1j87 s VAL 96 Cb 0.11 -1.79 -0.02 0.00 0.00 0.00 0.00 36.38 34.68 1j87 s VAL 96 CO 0.81 -0.09 -0.16 -0.69 0.00 0.00 0.00 175.10 174.97 1j87 s VAL 97 N 1.40 2.86 -0.33 2.92 1.01 0.31 -4.99 120.40 123.58 1j87 s VAL 97 Ca -0.06 -0.75 -0.29 0.00 0.00 0.00 0.00 61.98 60.88 1j87 s VAL 97 Cb -0.19 -2.16 0.01 0.00 0.00 0.00 0.00 36.38 34.04 1j87 s VAL 97 CO -0.06 0.55 1.25 -0.32 0.00 0.00 0.00 175.10 176.52 1j87 s MET 98 N -0.03 3.91 0.11 2.72 1.75 -1.26 -1.25 119.30 125.24 1j87 s MET 98 Ca -0.04 1.13 -0.10 0.00 -1.25 0.00 0.00 55.69 55.43 1j87 s MET 98 Cb -0.14 -3.86 -0.06 0.00 2.84 0.00 0.00 34.83 33.60 1j87 s MET 98 CO 0.04 -1.13 0.13 -1.91 -0.65 0.00 0.00 175.02 171.50 1j87 n GLU 99 N 7.32 0.00 0.00 4.11 2.13 -0.83 -1.35 120.64 132.02 1j87 n GLU 99 Ca 0.14 0.00 0.00 0.00 0.66 0.00 0.00 57.16 57.96 1j87 n GLU 99 Cb 0.47 -0.38 0.00 0.00 0.27 0.00 0.00 31.44 31.80 1j87 n GLU 99 CO 0.00 0.00 0.00 0.41 -0.41 0.00 0.00 177.13 177.13 1j87 n GLY 100 N 0.81 2.74 3.96 8.31 0.00 0.09 -4.94 105.19 116.16 1j87 n GLY 100 Ca 0.06 0.00 -0.25 0.00 0.00 0.00 0.00 46.02 45.82 1j87 n GLY 100 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 1j87 s GLN 101 N -0.14 1.63 0.13 1.61 -1.52 -0.46 -4.38 119.66 116.54 1j87 s GLN 101 Ca 0.00 -0.70 -0.19 0.00 -1.95 0.00 0.00 55.36 52.53 1j87 s GLN 101 Cb 0.00 -2.19 -0.07 0.00 -0.22 0.00 0.00 33.01 30.53 1j87 s GLN 101 CO 0.00 -1.57 0.62 -1.25 -0.25 0.00 0.00 175.29 172.85 1j87 s PRO 102 N -5.32 4.20 -0.12 2.91 0.04 -1.26 0.18 135.00 135.63 1j87 s PRO 102 Ca 0.66 0.76 0.02 0.00 0.04 0.00 0.00 61.00 62.47 1j87 s PRO 102 Cb -0.07 -3.09 0.02 0.00 0.04 0.00 0.00 34.50 31.40 1j87 s PRO 102 CO 0.46 0.54 -0.17 -1.17 0.04 0.00 0.00 177.00 176.70 1j87 s LEU 103 N -1.51 1.82 0.04 -3.56 2.96 -0.47 -4.88 118.68 113.08 1j87 s LEU 103 Ca 0.35 -0.49 0.05 0.00 -0.22 0.00 0.00 54.13 53.82 1j87 s LEU 103 Cb -0.18 -1.20 -0.02 0.00 0.50 0.00 0.00 46.19 45.29 1j87 s LEU 103 CO 0.20 0.02 -0.15 0.72 -1.32 0.00 0.00 176.35 175.82 1j87 s PHE 104 N 1.05 1.30 0.33 5.38 -0.12 -1.26 -1.87 117.98 122.79 1j87 s PHE 104 Ca -0.04 -0.35 0.07 0.00 -0.05 0.00 0.00 56.93 56.56 1j87 s PHE 104 Cb -0.15 -0.77 -0.06 0.00 -0.63 0.00 0.00 43.02 41.41 1j87 s PHE 104 CO -0.04 0.04 -0.05 -0.51 -0.05 0.00 0.00 175.22 174.62 1j87 s LEU 105 N -1.11 2.59 -0.27 -1.99 1.43 -0.52 -1.79 118.68 117.03 1j87 s LEU 105 Ca 0.02 -1.24 -0.09 0.00 -1.03 0.00 0.00 54.13 51.79 1j87 s LEU 105 Cb -0.08 -0.77 0.12 0.00 0.03 0.00 0.00 46.19 45.49 1j87 s LEU 105 CO 0.01 -0.34 0.58 -0.60 0.23 0.00 0.00 176.35 176.22 1j87 s ARG 106 N -3.70 0.50 -0.98 1.70 3.52 -0.60 -2.42 118.95 116.97 1j87 s ARG 106 Ca 0.32 1.32 -0.20 0.00 -0.13 0.00 0.00 55.73 57.04 1j87 s ARG 106 Cb 0.05 0.70 0.10 0.00 -1.56 0.00 0.00 34.95 34.24 1j87 s ARG 106 CO 0.15 -0.22 1.26 0.00 -0.81 0.00 0.00 175.30 175.69 1j87 s HIS 108 N 3.52 3.19 0.45 0.00 2.46 -0.01 -4.92 115.29 119.98 1j87 s HIS 108 Ca 0.38 0.64 -0.14 0.00 0.47 0.00 0.00 55.06 56.41 1j87 s HIS 108 Cb -0.03 -3.15 -0.07 0.00 -0.13 0.00 0.00 32.58 29.20 1j87 s HIS 108 CO -0.09 -0.56 0.88 0.20 -2.47 0.00 0.00 174.74 172.69 1j87 s GLY 109 N 1.68 2.05 0.49 1.59 0.00 -1.26 -1.84 107.32 110.03 1j87 s GLY 109 Ca 0.29 0.02 -0.23 0.00 0.00 0.00 0.00 44.72 44.80 1j87 s GLY 109 CO 0.13 0.26 1.26 1.87 0.00 0.00 0.00 173.10 176.62 1j87 n TRP 110 N -1.33 2.02 -3.89 1.90 -0.00 -0.50 -1.39 117.44 114.25 1j87 n TRP 110 Ca 0.05 0.46 -0.31 0.00 -0.00 0.00 0.00 57.50 57.70 1j87 n TRP 110 Cb 0.54 -2.34 -0.03 0.00 -0.00 0.00 0.00 31.31 29.48 1j87 n TRP 110 CO 0.00 0.00 0.00 0.54 -0.00 0.00 0.00 177.69 178.23 1j87 n ARG 111 N -0.49 -2.49 -3.95 5.87 5.12 -1.26 0.80 116.66 120.26 1j87 n ARG 111 Ca 0.09 0.29 -0.26 0.00 -1.93 0.00 0.00 57.85 56.04 1j87 n ARG 111 Cb 0.43 -4.94 -0.02 0.00 -1.16 0.00 0.00 32.46 26.76 1j87 n ARG 111 CO 0.00 0.00 0.00 0.09 -1.93 0.00 0.00 177.63 175.79 1j87 n ASN 112 N -2.36 -0.61 -4.83 0.55 3.02 -0.49 -4.90 115.26 105.64 1j87 n ASN 112 Ca 0.06 -1.02 -0.32 0.00 -0.03 0.00 0.00 54.58 53.26 1j87 n ASN 112 Cb 0.49 -3.00 -0.04 0.00 -0.61 0.00 0.00 39.78 36.62 1j87 n ASN 112 CO 0.00 0.00 0.00 0.26 -2.62 0.00 0.00 177.26 174.90 1j87 s TRP 113 N -3.94 3.36 -0.02 3.10 0.51 0.24 -4.95 118.94 117.24 1j87 s TRP 113 Ca 0.04 1.51 -0.30 0.00 -2.12 0.00 0.00 56.10 55.23 1j87 s TRP 113 Cb -0.02 -2.83 -0.06 0.00 -0.81 0.00 0.00 33.47 29.75 1j87 s TRP 113 CO 0.89 -0.36 1.55 -0.51 -0.51 0.00 0.00 176.95 178.01 1j87 s ASP 114 N -2.76 6.73 -0.05 2.95 1.01 -1.26 -4.33 116.67 118.95 1j87 s ASP 114 Ca 0.60 2.21 0.05 0.00 0.71 0.00 0.00 52.55 56.12 1j87 s ASP 114 Cb -0.10 -2.55 -0.01 0.00 1.01 0.00 0.00 42.92 41.27 1j87 s ASP 114 CO 0.26 -0.85 -0.22 -0.69 0.21 0.00 0.00 175.17 173.88 1j87 s VAL 115 N 3.27 1.81 0.09 -1.27 1.01 -1.26 -4.60 120.40 119.46 1j87 s VAL 115 Ca 0.69 -0.93 0.00 0.00 0.00 0.00 0.00 61.98 61.75 1j87 s VAL 115 Cb -0.33 -1.54 0.00 0.00 0.00 0.00 0.00 36.38 34.51 1j87 s VAL 115 CO 0.28 0.51 0.02 -1.22 0.00 0.00 0.00 175.10 174.69 1j87 n TYR 116 N 3.05 -0.18 -4.10 5.22 4.02 -0.65 -4.72 117.16 119.80 1j87 n TYR 116 Ca -0.18 -0.42 -0.34 0.00 -0.01 0.00 0.00 57.90 56.95 1j87 n TYR 116 Cb 0.52 -0.06 -0.06 0.00 -0.02 0.00 0.00 39.34 39.72 1j87 n TYR 116 CO 0.00 0.00 0.00 1.17 -1.01 0.00 0.00 176.86 177.02 1j87 n LYS 117 N -0.34 -1.14 -2.04 -0.72 3.00 -1.26 -1.74 118.16 113.91 1j87 n LYS 117 Ca -0.03 0.11 -0.35 0.00 -0.00 0.00 0.00 58.31 58.04 1j87 n LYS 117 Cb 0.11 -4.58 0.03 0.00 0.00 0.00 0.00 35.03 30.59 1j87 n LYS 117 CO 0.00 0.00 0.00 0.08 0.00 0.00 0.00 177.40 177.48 1j87 s VAL 118 N -2.97 2.86 -0.30 3.15 1.01 -1.26 -4.27 120.40 118.62 1j87 s VAL 118 Ca 0.67 0.51 -0.10 0.00 0.00 0.00 0.00 61.98 63.06 1j87 s VAL 118 Cb -0.39 -3.17 0.14 0.00 0.00 0.00 0.00 36.38 32.96 1j87 s VAL 118 CO 0.82 -0.14 0.68 -0.63 0.00 0.00 0.00 175.10 175.82 1j87 s ILE 119 N -1.76 -0.95 0.25 2.22 1.01 -0.77 -4.97 121.20 116.23 1j87 s ILE 119 Ca 0.74 0.00 -0.02 0.00 0.00 0.00 0.00 60.65 61.38 1j87 s ILE 119 Cb -0.27 -1.00 -0.04 0.00 0.01 0.00 0.00 42.46 41.16 1j87 s ILE 119 CO 0.32 0.00 0.47 -0.31 0.00 0.00 0.00 174.94 175.42 1j87 s TYR 120 N 2.86 3.48 0.00 3.97 1.51 -1.26 -1.66 117.35 126.26 1j87 s TYR 120 Ca -0.04 0.43 0.01 0.00 -1.01 0.00 0.00 57.07 56.46 1j87 s TYR 120 Cb -0.12 -1.93 -0.00 0.00 -0.11 0.00 0.00 41.96 39.79 1j87 s TYR 120 CO -0.19 0.27 -0.03 0.71 -1.11 0.00 0.00 175.55 175.20 1j87 s TYR 121 N -2.01 0.25 -0.21 2.71 1.51 -0.95 -2.31 117.35 116.33 1j87 s TYR 121 Ca 0.40 -0.11 -0.01 0.00 -1.01 0.00 0.00 57.07 56.34 1j87 s TYR 121 Cb -0.11 -0.16 0.02 0.00 -0.11 0.00 0.00 41.96 41.60 1j87 s TYR 121 CO 0.30 -0.03 -0.12 0.21 -1.11 0.00 0.00 175.55 174.81 1j87 s LYS 122 N -0.28 3.02 -0.94 -0.62 2.20 0.21 -2.93 119.74 120.39 1j87 s LYS 122 Ca -0.01 -0.84 -0.09 0.00 -0.36 0.00 0.00 55.97 54.67 1j87 s LYS 122 Cb -0.02 -2.80 -0.01 0.00 -1.51 0.00 0.00 37.83 33.49 1j87 s LYS 122 CO -0.00 -0.27 0.73 -0.25 -0.36 0.00 0.00 175.35 175.20 1j87 n ASP 123 N 4.67 -6.05 0.00 1.43 8.00 0.50 -2.26 116.55 122.84 1j87 n ASP 123 Ca -0.19 -0.71 0.00 0.00 0.71 0.00 0.00 54.79 54.61 1j87 n ASP 123 Cb 0.49 -3.67 0.00 0.00 -0.02 0.00 0.00 41.12 37.92 1j87 n ASP 123 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1j87 n GLY 124 N -1.67 0.68 3.75 0.44 0.00 -1.26 -4.90 105.19 102.22 1j87 n GLY 124 Ca -0.12 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.50 1j87 n GLY 124 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1j87 s GLU 125 N 0.00 4.71 0.49 1.61 2.02 -0.96 -4.91 118.70 121.67 1j87 s GLU 125 Ca 0.00 1.62 -0.23 0.00 0.02 0.00 0.00 54.97 56.38 1j87 s GLU 125 Cb 0.00 -3.27 -0.06 0.00 0.10 0.00 0.00 34.13 30.89 1j87 s GLU 125 CO 0.00 0.29 1.31 0.00 0.02 0.00 0.00 175.26 176.87 1j87 s ALA 126 N -0.75 2.96 -0.17 5.21 0.00 -1.26 0.63 121.76 128.38 1j87 s ALA 126 Ca 0.45 1.23 -0.08 0.00 0.00 0.00 0.00 51.96 53.55 1j87 s ALA 126 Cb -0.28 -3.51 -0.04 0.00 0.00 0.00 0.00 23.12 19.29 1j87 s ALA 126 CO 0.35 -1.09 0.11 -0.48 0.00 0.00 0.00 175.76 174.64 1j87 s LEU 127 N -3.16 4.12 0.16 0.00 2.34 -0.98 -4.72 118.68 116.43 1j87 s LEU 127 Ca 0.66 0.24 0.11 0.00 0.06 0.00 0.00 54.13 55.20 1j87 s LEU 127 Cb -0.37 -2.04 -0.04 0.00 -0.56 0.00 0.00 46.19 43.18 1j87 s LEU 127 CO 0.45 0.24 -0.22 -0.54 -1.06 0.00 0.00 176.35 175.22 1j87 s LYS 128 N -0.03 1.59 -0.87 1.48 -0.14 -1.26 -4.78 119.74 115.73 1j87 s LYS 128 Ca 0.09 -1.37 -0.01 0.00 -1.36 0.00 0.00 55.97 53.31 1j87 s LYS 128 Cb -0.12 -1.95 0.00 0.00 -1.68 0.00 0.00 37.83 34.09 1j87 s LYS 128 CO 0.00 0.44 0.11 0.66 -0.76 0.00 0.00 175.35 175.79 1j87 n TYR 129 N 0.55 -0.68 -2.87 3.18 4.02 -1.26 -5.04 117.16 115.07 1j87 n TYR 129 Ca -0.15 0.09 -0.28 0.00 -0.01 0.00 0.00 57.90 57.55 1j87 n TYR 129 Cb 0.54 -2.62 -0.02 0.00 -0.02 0.00 0.00 39.34 37.23 1j87 n TYR 129 CO 0.00 0.00 0.00 -1.58 -1.01 0.00 0.00 176.86 174.27 1j87 s TRP 130 N -2.64 3.51 -0.52 -0.72 0.52 -1.26 -4.95 118.94 112.88 1j87 s TRP 130 Ca 0.05 0.83 -0.28 0.00 0.02 0.00 0.00 56.10 56.73 1j87 s TRP 130 Cb -0.02 -2.29 -0.00 0.00 -1.15 0.00 0.00 33.47 30.01 1j87 s TRP 130 CO 0.07 -0.12 1.58 -0.47 0.02 0.00 0.00 176.95 178.02 1j87 s TYR 131 N -2.49 2.07 0.20 -1.98 5.04 -0.56 -4.77 117.35 114.85 1j87 s TYR 131 Ca 0.48 0.58 0.02 0.00 -2.44 0.00 0.00 57.07 55.71 1j87 s TYR 131 Cb -0.10 -4.27 -0.04 0.00 0.35 0.00 0.00 41.96 37.90 1j87 s TYR 131 CO 0.37 -2.23 0.35 -2.00 -1.34 0.00 0.00 175.55 170.71 1j87 s GLU 132 N 5.84 3.47 -0.29 4.97 2.12 -1.26 -1.12 118.70 132.42 1j87 s GLU 132 Ca 0.61 -0.54 -0.16 0.00 0.36 0.00 0.00 54.97 55.24 1j87 s GLU 132 Cb -0.13 -2.89 0.15 0.00 0.26 0.00 0.00 34.13 31.51 1j87 s GLU 132 CO 0.26 0.44 0.95 1.21 -0.54 0.00 0.00 175.26 177.58 1j87 s ASN 133 N -3.44 -0.57 0.26 -1.70 2.47 0.07 -4.95 114.94 107.07 1j87 s ASN 133 Ca 0.36 0.87 0.21 0.00 0.42 0.00 0.00 52.86 54.72 1j87 s ASN 133 Cb -0.10 1.37 0.70 0.00 -1.45 0.00 0.00 41.25 41.77 1j87 s ASN 133 CO 0.29 -0.13 0.69 1.41 -3.72 0.00 0.00 177.10 175.64 1j87 n HIS 134 N 4.11 0.00 0.01 0.43 8.25 -1.26 0.22 115.22 126.98 1j87 n HIS 134 Ca -0.16 0.00 -0.17 0.00 -0.26 0.00 0.00 57.72 57.12 1j87 n HIS 134 Cb 0.56 -0.20 -0.12 0.00 1.12 0.00 0.00 29.99 31.35 1j87 n HIS 134 CO 0.00 0.00 0.00 -0.91 0.64 0.00 0.00 176.34 176.07 1j87 h ASN 135 N 0.00 0.44 -5.32 0.41 2.35 -1.98 -3.49 115.58 108.00 1j87 h ASN 135 Ca 0.38 -0.82 0.12 0.00 -0.55 0.00 0.00 56.30 55.43 1j87 h ASN 135 Cb 1.65 -0.14 -0.02 0.00 0.05 0.00 0.00 38.32 39.86 1j87 h ASN 135 CO -0.00 1.21 0.51 0.27 -1.65 0.00 0.00 177.43 177.77 1j87 s ILE 136 N -2.97 0.00 -0.02 2.81 -4.36 0.60 -4.82 121.20 112.45 1j87 s ILE 136 Ca -0.14 -0.68 0.03 0.00 -0.26 0.00 0.00 60.65 59.60 1j87 s ILE 136 Cb 0.02 -2.93 -0.00 0.00 1.25 0.00 0.00 42.46 40.80 1j87 s ILE 136 CO 0.80 0.00 -0.12 -0.44 0.24 0.00 0.00 174.94 175.42 1j87 s SER 137 N -3.35 1.48 0.26 4.36 0.01 -1.02 -0.75 113.70 114.69 1j87 s SER 137 Ca 0.21 -0.23 0.04 0.00 1.31 0.00 0.00 55.95 57.28 1j87 s SER 137 Cb -0.03 -0.28 -0.06 0.00 0.21 0.00 0.00 66.02 65.86 1j87 s SER 137 CO 0.07 0.12 -0.01 -0.63 0.41 0.00 0.00 173.24 173.20 1j87 s ILE 138 N -0.07 1.24 -0.11 1.44 1.01 -0.28 -1.43 121.20 122.99 1j87 s ILE 138 Ca 0.01 -2.06 -0.30 0.00 0.00 0.00 0.00 60.65 58.30 1j87 s ILE 138 Cb -0.07 -2.43 0.11 0.00 0.01 0.00 0.00 42.46 40.08 1j87 s ILE 138 CO 0.00 -0.28 0.91 0.28 0.00 0.00 0.00 174.94 175.86 1j87 s THR 139 N -3.28 0.00 -0.03 2.92 -1.32 -0.78 -1.50 115.64 111.65 1j87 s THR 139 Ca 0.30 0.00 -0.30 0.00 -1.21 0.00 0.00 61.69 60.48 1j87 s THR 139 Cb 0.05 -1.00 -0.03 0.00 -1.51 0.00 0.00 72.50 70.01 1j87 s THR 139 CO 0.10 0.00 1.10 0.21 -2.21 0.00 0.00 174.62 173.82 1j87 s ASN 140 N -1.38 7.19 0.24 8.08 3.84 -1.26 -1.37 114.94 130.26 1j87 s ASN 140 Ca -0.02 1.75 -0.31 0.00 0.21 0.00 0.00 52.86 54.48 1j87 s ASN 140 Cb -0.00 -2.56 -0.13 0.00 -0.55 0.00 0.00 41.25 38.00 1j87 s ASN 140 CO 0.01 -0.45 1.57 0.00 -2.79 0.00 0.00 177.10 175.44 1j87 n ALA 141 N 4.56 1.99 -2.34 1.71 0.00 0.48 -4.85 120.51 122.06 1j87 n ALA 141 Ca 0.09 0.40 -0.18 0.00 0.00 0.00 0.00 53.44 53.75 1j87 n ALA 141 Cb 0.48 -2.40 -0.10 0.00 0.00 0.00 0.00 19.45 17.43 1j87 n ALA 141 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 177.50 178.49 1j87 s THR 142 N 0.39 1.58 -0.36 0.00 2.01 -1.26 -0.73 115.64 117.27 1j87 s THR 142 Ca 0.70 -2.13 0.27 0.00 0.31 0.00 0.00 61.69 60.85 1j87 s THR 142 Cb -0.58 -1.95 0.31 0.00 0.01 0.00 0.00 72.50 70.30 1j87 s THR 142 CO 0.44 -0.60 1.79 1.62 -0.69 0.00 0.00 174.62 177.17 1j87 h VAL 143 N 2.72 0.00 0.01 3.82 3.04 -1.96 -2.77 116.25 121.12 1j87 h VAL 143 Ca -0.38 -0.50 -0.23 0.00 -1.01 0.00 0.00 66.70 64.58 1j87 h VAL 143 Cb 1.21 1.41 0.00 0.00 -2.01 0.00 0.00 31.29 31.91 1j87 h VAL 143 CO 0.61 0.00 -0.96 -0.33 -1.01 0.00 0.00 177.57 175.88 1j87 h GLU 144 N 0.00 0.40 0.00 4.17 5.08 -1.95 -3.11 114.58 119.17 1j87 h GLU 144 Ca 0.00 -0.44 0.00 0.00 -1.00 0.00 0.00 59.36 57.92 1j87 h GLU 144 Cb 0.60 0.13 0.00 0.00 0.50 0.00 0.00 28.75 29.97 1j87 h GLU 144 CO 0.00 1.11 0.00 -0.44 -1.00 0.00 0.00 179.01 178.68 1j87 h ASP 145 N 0.22 0.00 -3.90 1.42 3.32 -1.88 -3.43 116.42 112.17 1j87 h ASP 145 Ca -0.08 0.00 -0.56 0.00 0.02 0.00 0.00 57.03 56.40 1j87 h ASP 145 Cb 1.60 0.00 0.16 0.00 0.22 0.00 0.00 39.33 41.31 1j87 h ASP 145 CO 0.17 0.00 0.38 -1.20 -1.72 0.00 0.00 179.24 176.86 1j87 n SER 146 N -2.46 1.66 0.00 6.45 7.64 -1.18 -4.89 113.62 120.83 1j87 n SER 146 Ca -0.02 0.83 0.00 0.00 1.01 0.00 0.00 58.87 60.70 1j87 n SER 146 Cb 0.04 -1.50 0.00 0.00 -1.01 0.00 0.00 64.21 61.75 1j87 n SER 146 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1j87 n GLY 147 N 1.04 0.36 3.81 0.23 0.00 0.34 -4.99 105.19 105.97 1j87 n GLY 147 Ca 0.15 -1.80 -0.36 0.00 0.00 0.00 0.00 46.02 44.00 1j87 n GLY 147 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 1j87 s THR 148 N -1.67 5.39 0.36 2.61 -4.23 -1.26 -1.06 115.64 115.78 1j87 s THR 148 Ca 0.00 0.34 0.08 0.00 -1.18 0.00 0.00 61.69 60.93 1j87 s THR 148 Cb 0.00 -3.50 -0.05 0.00 1.34 0.00 0.00 72.50 70.29 1j87 s THR 148 CO 0.00 0.53 0.10 -0.31 -0.54 0.00 0.00 174.62 174.40 1j87 s TYR 149 N -0.43 2.61 0.00 3.99 1.51 0.36 -0.37 117.35 125.02 1j87 s TYR 149 Ca 0.15 -0.47 0.00 0.00 -1.01 0.00 0.00 57.07 55.73 1j87 s TYR 149 Cb -0.12 -1.67 0.00 0.00 -0.11 0.00 0.00 41.96 40.05 1j87 s TYR 149 CO 0.04 0.35 0.00 2.48 -1.11 0.00 0.00 175.55 177.31 1j87 n TYR 150 N -1.09 0.00 -3.92 2.71 0.18 -1.15 0.16 117.16 114.04 1j87 n TYR 150 Ca -0.03 0.00 -0.23 0.00 1.88 0.00 0.00 57.90 59.52 1j87 n TYR 150 Cb 0.63 0.00 -0.06 0.00 -0.38 0.00 0.00 39.34 39.53 1j87 n TYR 150 CO 0.00 0.00 0.00 0.00 -2.08 0.00 0.00 176.86 174.78 1j87 s THR 152 N -2.55 0.62 0.00 0.00 -4.23 -0.66 -1.09 115.64 107.72 1j87 s THR 152 Ca 0.44 -1.97 0.00 0.00 -1.18 0.00 0.00 61.69 58.98 1j87 s THR 152 Cb 0.01 -2.09 0.00 0.00 1.34 0.00 0.00 72.50 71.76 1j87 s THR 152 CO 0.24 -0.49 0.00 0.61 -0.54 0.00 0.00 174.62 174.44 1j87 n GLY 153 N -0.22 1.00 3.77 3.99 0.00 -1.15 -1.84 105.19 110.73 1j87 n GLY 153 Ca -0.07 -0.49 -0.38 0.00 0.00 0.00 0.00 46.02 45.08 1j87 n GLY 153 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 1j87 s LYS 154 N -2.00 4.20 -0.06 1.61 2.20 -0.71 -1.14 119.74 123.84 1j87 s LYS 154 Ca 0.00 0.47 0.04 0.00 -0.36 0.00 0.00 55.97 56.13 1j87 s LYS 154 Cb 0.00 -3.35 -0.00 0.00 -1.51 0.00 0.00 37.83 32.97 1j87 s LYS 154 CO 0.00 0.37 -0.19 0.08 -0.36 0.00 0.00 175.35 175.25 1j87 s VAL 155 N -0.09 1.63 0.00 4.02 1.01 0.17 -1.63 120.40 125.51 1j87 s VAL 155 Ca 0.26 -0.80 0.00 0.00 0.00 0.00 0.00 61.98 61.43 1j87 s VAL 155 Cb -0.16 -1.41 0.00 0.00 0.00 0.00 0.00 36.38 34.81 1j87 s VAL 155 CO 0.12 0.46 0.00 0.79 0.00 0.00 0.00 175.10 176.48 1j87 n TRP 156 N 3.31 0.00 -1.32 5.22 5.03 -1.26 -0.34 117.44 128.08 1j87 n TRP 156 Ca -0.19 0.00 0.00 0.00 3.03 0.00 0.00 57.50 60.34 1j87 n TRP 156 Cb 0.53 0.00 0.00 0.00 -1.03 0.00 0.00 31.31 30.81 1j87 n TRP 156 CO 0.00 0.00 0.00 1.04 -0.03 0.00 0.00 177.69 178.70 1j87 n GLN 157 N 0.00 0.00 -3.90 -0.99 1.13 -1.26 -5.14 117.38 107.22 1j87 n GLN 157 Ca 0.00 0.00 -0.22 0.00 -1.94 0.00 0.00 57.00 54.84 1j87 n GLN 157 Cb 0.00 -0.05 -0.04 0.00 0.11 0.00 0.00 30.24 30.26 1j87 n GLN 157 CO 0.00 0.00 0.00 -0.51 -1.44 0.00 0.00 177.06 175.11 1j87 s LEU 158 N 0.00 3.58 -0.22 1.08 1.43 0.54 -5.07 118.68 120.02 1j87 s LEU 158 Ca 0.00 -0.49 -0.04 0.00 -1.03 0.00 0.00 54.13 52.57 1j87 s LEU 158 Cb 0.00 -2.17 -0.00 0.00 0.03 0.00 0.00 46.19 44.05 1j87 s LEU 158 CO 0.00 -0.29 -0.05 -1.81 0.23 0.00 0.00 176.35 174.43 1j87 s ASP 159 N -3.95 4.28 0.57 2.29 1.01 -1.26 0.43 116.67 120.04 1j87 s ASP 159 Ca 0.39 -0.45 0.07 0.00 0.71 0.00 0.00 52.55 53.28 1j87 s ASP 159 Cb -0.06 -1.73 0.07 0.00 1.01 0.00 0.00 42.92 42.21 1j87 s ASP 159 CO 0.26 -0.03 0.60 -0.31 0.21 0.00 0.00 175.17 175.89 1j87 s TYR 160 N 1.46 1.41 -0.06 4.23 1.51 -0.29 -4.95 117.35 120.66 1j87 s TYR 160 Ca 0.05 -0.82 -0.14 0.00 -1.01 0.00 0.00 57.07 55.16 1j87 s TYR 160 Cb -0.14 -2.03 0.03 0.00 -0.11 0.00 0.00 41.96 39.70 1j87 s TYR 160 CO -0.04 -0.84 0.32 -2.00 -1.11 0.00 0.00 175.55 171.88 1j87 s GLU 161 N -4.48 0.56 0.56 -0.62 2.12 -1.26 -2.92 118.70 112.65 1j87 s GLU 161 Ca 0.46 0.07 0.02 0.00 0.36 0.00 0.00 54.97 55.88 1j87 s GLU 161 Cb -0.04 0.25 0.05 0.00 0.26 0.00 0.00 34.13 34.65 1j87 s GLU 161 CO 0.29 -0.13 0.78 -1.54 -0.54 0.00 0.00 175.26 174.13 1j87 s SER 162 N -0.73 5.18 0.15 -1.70 1.04 -0.25 -4.78 113.70 112.61 1j87 s SER 162 Ca -0.08 -0.13 -0.31 0.00 0.48 0.00 0.00 55.95 55.91 1j87 s SER 162 Cb -0.04 -0.69 -0.08 0.00 0.10 0.00 0.00 66.02 65.31 1j87 s SER 162 CO 0.03 -1.21 1.32 -1.61 0.98 0.00 0.00 173.24 172.75 1j87 s GLU 163 N -4.77 4.38 1.11 4.02 0.41 -1.26 -4.72 118.70 117.86 1j87 s GLU 163 Ca 0.58 2.02 -0.14 0.00 -0.41 0.00 0.00 54.97 57.03 1j87 s GLU 163 Cb -0.09 -3.23 0.20 0.00 -1.78 0.00 0.00 34.13 29.22 1j87 s GLU 163 CO 0.39 -0.31 0.72 -0.35 -0.49 0.00 0.00 175.26 175.22 1j87 n PRO 164 N 3.22 -1.78 -3.95 0.39 -0.04 -1.26 -4.73 135.00 126.85 1j87 n PRO 164 Ca 0.08 -0.49 -0.11 0.00 -0.04 0.00 0.00 63.50 62.95 1j87 n PRO 164 Cb 0.43 -2.05 -0.13 0.00 -0.04 0.00 0.00 33.50 31.72 1j87 n PRO 164 CO 0.00 0.00 0.00 -1.17 -0.04 0.00 0.00 175.50 174.29 1j87 s LEU 165 N -5.05 2.12 -0.29 1.53 2.96 0.41 -4.94 118.68 115.42 1j87 s LEU 165 Ca 0.64 -0.25 -0.07 0.00 -0.22 0.00 0.00 54.13 54.23 1j87 s LEU 165 Cb -0.21 0.02 0.00 0.00 0.50 0.00 0.00 46.19 46.49 1j87 s LEU 165 CO 0.65 -0.14 0.08 0.20 -1.32 0.00 0.00 176.35 175.82 1j87 s ASN 166 N -0.73 5.10 -0.11 3.68 -0.87 -1.26 0.13 114.94 120.89 1j87 s ASN 166 Ca -0.07 -0.61 0.02 0.00 -1.57 0.00 0.00 52.86 50.63 1j87 s ASN 166 Cb -0.05 -1.89 -0.01 0.00 -0.02 0.00 0.00 41.25 39.28 1j87 s ASN 166 CO -0.00 -0.16 -0.17 -0.63 -2.57 0.00 0.00 177.10 173.57 1j87 s ILE 167 N 1.52 2.73 -0.08 0.60 1.01 -0.23 -4.83 121.20 121.93 1j87 s ILE 167 Ca 0.03 -0.79 0.04 0.00 0.00 0.00 0.00 60.65 59.94 1j87 s ILE 167 Cb -0.17 -2.11 -0.00 0.00 0.01 0.00 0.00 42.46 40.20 1j87 s ILE 167 CO 0.02 0.54 -0.21 -0.89 0.00 0.00 0.00 174.94 174.41 1j87 s THR 168 N 0.21 1.81 -0.80 2.92 2.01 -0.82 -0.51 115.64 120.47 1j87 s THR 168 Ca -0.10 -0.89 -0.07 0.00 0.31 0.00 0.00 61.69 60.93 1j87 s THR 168 Cb -0.16 -1.57 0.20 0.00 0.01 0.00 0.00 72.50 70.99 1j87 s THR 168 CO 0.06 0.51 0.69 -0.69 -0.69 0.00 0.00 174.62 174.49 1j87 s VAL 169 N 0.25 4.74 -0.32 3.82 1.01 -1.25 -0.53 120.40 128.12 1j87 s VAL 169 Ca -0.13 -3.01 -0.28 0.00 0.00 0.00 0.00 61.98 58.56 1j87 s VAL 169 Cb -0.16 -3.96 -0.06 0.00 0.00 0.00 0.00 36.38 32.20 1j87 s VAL 169 CO 0.06 -1.00 2.29 0.00 0.00 0.00 0.00 175.10 176.45